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Information card for entry 7156933
Preview
| Coordinates | 7156933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H21 Br N2 O11 |
|---|---|
| Calculated formula | C26 H21 Br N2 O11 |
| Title of publication | [2 + 1 + 1] Assembly of spiro β-lactams by Rh(ii)-catalyzed reaction of diazocarbonyl compounds with azirines/isoxazoles. |
| Authors of publication | Golubev, Artem A.; Smetanin, Ilia A.; Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Starova, Galina L.; Novikov, Mikhail S. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 6821 - 6830 |
| a | 17.9781 ± 0.0002 Å |
| b | 10.33117 ± 0.00014 Å |
| c | 27.7978 ± 0.0004 Å |
| α | 90° |
| β | 93.5433 ± 0.0012° |
| γ | 90° |
| Cell volume | 5153.15 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7156933.cif |
| 225028 | 2019-11-08 | cif/ Updating files of 7156931, 7156932, 7156933, 7156934 Original log message: Adding full bibliography for 7156931--7156934.cif. |
7156933.cif |
| 216490 | 2019-06-22 | cif/ Adding structures of 7156931, 7156932, 7156933, 7156934 via cif-deposit CGI script. |
7156933.cif |
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Users of the data should acknowledge the original authors of the
structural data.